SCHEMBL5152585

SCHEMBL5152585

C[C@@H]1CC[C@@H](C)C(C)(C)[C@H]1O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5153968 1.00 ALDH1A1 (0.31) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL22622583 1.00 ALDH1A1 (0.31) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL5152382 1.00 ALDH1A1 (0.31) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL9508148 1.00 ALDH1A1 (0.31) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL11019521 0.78 ALDH1A1 (0.35) ALDH1A1
SCHEMBL19226217 0.73
SCHEMBL16673531 0.73
SCHEMBL18943840 0.72
SCHEMBL16383092 0.72
SCHEMBL16383090 0.72

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1136061-B1 Optically active, oxygenated, alicyclic compounds and their use as perfuming ingredients FIRMENICH & CIE (CH) 2007-01-03 EP disclosed
US-20010031710-A1 Optically active, oxygenated, alicyclic compounds and their use as perfuming ingredients FIRMENICH SA (CH) 2001-10-18 US disclosed
EP-1136061-A2 Optically active, oxygenated, alicyclic compounds and their use as perfuming ingredients FIRMENICH SA (CH) 2001-09-26 EP disclosed